| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
2,4-Dichlorophenylboronic acid does not target a specific protein or enzyme for pharmacological intervention. Its utility is as a chemical reagent and synthetic intermediate for organic synthesis. The compound is a reactant involved in Suzuki coupling reactions with alkynyl bromides or aniline/thiophenol and in selective hydroxylation to phenols. It is also a reactant involved in the synthesis of biologically active molecules including N-hydroxyindole-2-carboxylates for use as lactate dehydrogenase inhibitors and non-ATP competitive MK2 inhibitors.
|
|---|---|
| ln Vitro |
The in vitro activity of 2,4-Dichlorophenylboronic acid is its function as a chemical reagent for organic synthesis. The compound is used in Suzuki-Miyaura cross-coupling reactions with alkynyl bromides or aniline/thiophenol. It is involved in the synthesis of biologically active molecules, including N-hydroxyindole-2-carboxylates for use as lactate dehydrogenase inhibitors and non-ATP competitive MK2 inhibitors.
|
| ln Vivo |
No significant in vivo activity has been reported for 2,4-Dichlorophenylboronic acid as a therapeutic agent. The compound is primarily utilized as a chemical reagent and synthetic intermediate rather than a pharmacologically active compound.
|
| Enzyme Assay |
In vitro assays for 2,4-Dichlorophenylboronic acid are not typically performed in the context of enzyme or receptor binding. The compound is used in Suzuki-Miyaura cross-coupling reactions where it is incubated with aryl halides, a palladium catalyst, and a base in appropriate solvent conditions.
|
| Cell Assay |
For in vitro cellular experiments, 2,4-Dichlorophenylboronic acid is not typically used in cell-based assays. The compound is primarily used as a chemical reagent in organic synthesis.
|
| Animal Protocol |
In vivo animal experiments with 2,4-Dichlorophenylboronic acid are not commonly performed, as the compound is primarily used as a chemical reagent rather than a therapeutic candidate.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of 2,4-Dichlorophenylboronic acid have not been characterized, as it is a research-use chemical reagent rather than a drug candidate. The compound has a molecular weight of 190.82 g/mol and a melting point of 240-250°C. It should be stored under appropriate conditions.
|
| Toxicity/Toxicokinetics |
The compound is intended for research use only and not for human therapeutic or diagnostic applications. Standard laboratory safety precautions should be observed when handling this chemical reagent.
|
| Additional Infomation |
2,4-Dichlorophenylboronic acid is an organoboron compound used in Suzuki-Miyaura cross-coupling reactions and in the synthesis of biologically active molecules. The compound has no clinical or therapeutic applications.
|
| Molecular Formula |
C6H5BCL2O2
|
|---|---|
| Molecular Weight |
190.82
|
| Exact Mass |
189.975
|
| CAS # |
68716-47-2
|
| PubChem CID |
2734659
|
| Appearance |
White to off-white solid powder
|
| Density |
1.5±0.1 g/cm3
|
| Boiling Point |
331.3±52.0 °C at 760 mmHg
|
| Melting Point |
246-249 °C(lit.)
|
| Flash Point |
154.2±30.7 °C
|
| Vapour Pressure |
0.0±0.8 mmHg at 25°C
|
| Index of Refraction |
1.577
|
| LogP |
2.79
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
11
|
| Complexity |
134
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
ClC1C([H])=C(C([H])=C([H])C=1B(O[H])O[H])Cl
|
| InChi Key |
QNEGDGPAXKYZHZ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C6H5BCl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H
|
| Chemical Name |
(2,4-dichlorophenyl)boronic acid
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
|
|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.2405 mL | 26.2027 mL | 52.4054 mL | |
| 5 mM | 1.0481 mL | 5.2405 mL | 10.4811 mL | |
| 10 mM | 0.5241 mL | 2.6203 mL | 5.2405 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
